IOTA : integration optimization, triage and analysis tool for the processing of XFEL diffraction images

Serial femtosecond crystallography (SFX) uses an X-ray free-electron laser to extract diffraction data from crystals not amenable to conventional X-ray light sources owing to their small size or radiation sensitivity. However, a limitation of SFX is the high variability of the diffraction images tha...

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Veröffentlicht in:Journal of applied crystallography. - 1998. - 49(2016), Pt 3 vom: 01. Juni, Seite 1057-1064
1. Verfasser: Lyubimov, Artem Y (VerfasserIn)
Weitere Verfasser: Uervirojnangkoorn, Monarin, Zeldin, Oliver B, Brewster, Aaron S, Murray, Thomas D, Sauter, Nicholas K, Berger, James M, Weis, William I, Brunger, Axel T
Format: Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article X-ray free-electron lasers XFELs computer programs diffraction data processing indexing and integration serial femtosecond crystallography
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520 |a Serial femtosecond crystallography (SFX) uses an X-ray free-electron laser to extract diffraction data from crystals not amenable to conventional X-ray light sources owing to their small size or radiation sensitivity. However, a limitation of SFX is the high variability of the diffraction images that are obtained. As a result, it is often difficult to determine optimal indexing and integration parameters for the individual diffraction images. Presented here is a software package, called IOTA, which uses a grid-search technique to determine optimal spot-finding parameters that can in turn affect the success of indexing and the quality of integration on an image-by-image basis. Integration results can be filtered using a priori information about the Bravais lattice and unit-cell dimensions and analyzed for unit-cell isomorphism, facilitating an improvement in subsequent data-processing steps 
650 4 |a Journal Article 
650 4 |a X-ray free-electron lasers 
650 4 |a XFELs 
650 4 |a computer programs 
650 4 |a diffraction data processing 
650 4 |a indexing and integration 
650 4 |a serial femtosecond crystallography 
700 1 |a Uervirojnangkoorn, Monarin  |e verfasserin  |4 aut 
700 1 |a Zeldin, Oliver B  |e verfasserin  |4 aut 
700 1 |a Brewster, Aaron S  |e verfasserin  |4 aut 
700 1 |a Murray, Thomas D  |e verfasserin  |4 aut 
700 1 |a Sauter, Nicholas K  |e verfasserin  |4 aut 
700 1 |a Berger, James M  |e verfasserin  |4 aut 
700 1 |a Weis, William I  |e verfasserin  |4 aut 
700 1 |a Brunger, Axel T  |e verfasserin  |4 aut 
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